1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

C15H23N5O2 — CID 94547945

IUPAC1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCN1CC[C@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C15H23N5O2/c1-19-5-4-13(11-19)18-15(21)17-12-2-3-14(16-10-12)20-6-8-22-9-7-20/h2-3,10,13H,4-9,11H2,1H3,(H2,17,18,21)/t13-/m0/s1
InChIKeyPYEUYWVLYRHHRG-ZDUSSCGKSA-N
MW305.38 g/mol
LogP0.74
Rot. Bonds3

About 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 94547945) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID94547945
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCN1CC[C@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C15H23N5O2/c1-19-5-4-13(11-19)18-15(21)17-12-2-3-14(16-10-12)20-6-8-22-9-7-20/h2-3,10,13H,4-9,11H2,1H3,(H2,17,18,21)/t13-/m0/s1
InChIKeyPYEUYWVLYRHHRG-ZDUSSCGKSA-N
XLogP0.74
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 94547945) is 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is CN1CC[C@H](NC(=O)Nc2ccc(N3CCOCC3)nc2)C1.
What is the InChIKey of 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is PYEUYWVLYRHHRG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-19-5-4-13(11-19)18-15(21)17-12-2-3-14(16-10-12)20-6-8-22-9-7-20/h2-3,10,13H,4-9,11H2,1H3,(H2,17,18,21)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 305.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 94547945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).